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4-[3-[2-(1-adamantyl)ethyl]-5-keto-4-[2-keto-2-(4-propoxyanilino)ethyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[3-[2-(1-adamantyl)ethyl]-5-keto-4-[2-keto-2-(4-propoxyanilino)ethyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID J8xtIZRoslq
InChI InChI=1S/C35H43N3O5S/c1-3-15-43-29-11-7-27(8-12-29)36-31(39)19-30-32(40)38(28-9-5-26(6-10-28)33(41)42-4-2)34(44)37(30)14-13-35-20-23-16-24(21-35)18-25(17-23)22-35/h5-12,23-25,30H,3-4,13-22H2,1-2H3,(H,36,39)/t23-,24+,25-,30?,35+
InChIKey RIWKMJHGPPUMST-IPMXEBPYSA-N
Mol Weight 617.8 g/mol
Molecular Formula C35H43N3O5S
Exact Mass 617.292343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGKoCqk8VdY
Name benzoic acid, 4-[5-oxo-4-[2-oxo-2-[(4-propoxyphenyl)amino]ethyl]-2-thioxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-1-imidazolidinyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 617.292342666 u
Formula C35H43N3O5S
InChI InChI=1S/C35H43N3O5S/c1-3-15-43-29-11-7-27(8-12-29)36-31(39)19-30-32(40)38(28-9-5-26(6-10-28)33(41)42-4-2)34(44)37(30)14-13-35-20-23-16-24(21-35)18-25(17-23)22-35/h5-12,23-25,30H,3-4,13-22H2,1-2H3,(H,36,39)/t23-,24+,25-,30?,35+
InChIKey RIWKMJHGPPUMST-IPMXEBPYSA-N
Molecular Weight 617.805 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15781
Solvent DMSO-d6
Source Vendor ID: NMR/11241810; Lab Info: PE; Lab Number: PE-0030137